COMPOUND: C14728
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Entry
C14728 Compound
Name
2,2',3,3',4',5-Hexachloro-4-biphenylol
Formula
C12H4Cl6O
Exact mass
373.8393
Mol weight
376.8776
Structure
Mol file
KCF file
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Other DBs
CAS:
158076-62-1
PubChem:
17395727
ChEBI:
34195
NIKKAJI:
J1.807.343I
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KCF data
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ATOM 19
1 C8x C 17.7800 -19.6700
2 C8y C 17.7800 -21.0700
3 C8y C 18.9924 -21.7700
4 C8y C 20.2049 -21.0700
5 C8y C 20.2049 -19.6700
6 C8x C 18.9924 -18.9700
7 C8y C 21.4360 -18.9590
8 C8x C 22.6412 -19.6547
9 C8y C 23.8535 -18.9546
10 C8y C 23.8535 -17.5546
11 C8y C 22.6483 -16.8589
12 C8y C 21.4359 -17.5590
13 O1a O 25.0714 -16.8512
14 X Cl 20.2164 -16.8549
15 X Cl 22.6485 -15.4704
16 X Cl 25.0851 -19.6654
17 X Cl 21.4360 -21.7810
18 X Cl 18.9924 -23.1698
19 X Cl 16.5676 -21.7700
BOND 20
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 12 14 1
16 11 15 1
17 9 16 1
18 4 17 1
19 3 18 1
20 2 19 1
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